Optimised PDB entry 4l5b



Warnings!

Structure
SpacegroupP 41
Cell dimensionsa: 68.671 Åb: 68.671 Åc: 120.019 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.94 Å

Experimental data
ReflectionsAll: 40225Test set: 2019 (5.0%)
Resolution range27.34 Å1.94 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18800.18830.18860.1878
R-free0.23300.21580.21170.2101
σR-free 0.00480.00470.0047
Z(R-free) 2.753.773.89

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.0900.3330.317
2nd generation packing quality1-1.995-1.327-1.186
Ramachandran plot appearance1-3.731-1.272-1.390
Chi-1/Chi-2 rotamer normality1-6.121-4.254-4.162
Backbone conformation1-1.812-1.501-1.437
Bond length RMS Z-score20.5400.6860.675
Bond angle RMS Z-score20.7620.8730.847
Total number of bumps3663021
Unsatisfied H-bond donors/acceptors3242823
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues50
Significantly deteriorated residues37
Changes of all residuesPlot

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